N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide

C19H17ClF2N4O3S — CID 67042873

IUPACN-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide
SMILESCc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)cccc12
InChIInChI=1S/C19H17ClF2N4O3S/c1-11-12-4-2-5-13(17(12)24-10-23-11)19(27)25-18-14(20)6-7-15(16(18)22)26-30(28,29)9-3-8-21/h2,4-7,10,26H,3,8-9H2,1H3,(H,25,27)
InChIKeyYTLDBALFFBBYFL-UHFFFAOYSA-N
MW454.89 g/mol
LogP4.08
Rot. Bonds7

About N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide

N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide (PubChem CID 67042873) has the molecular formula C19H17ClF2N4O3S and a molecular weight of 454.89 g/mol. Its IUPAC name is N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide
PubChem CID67042873
Molecular FormulaC19H17ClF2N4O3S
Molecular Weight454.89 g/mol
Exact Mass454.07
IUPAC NameN-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide
SMILESCc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)cccc12
InChIInChI=1S/C19H17ClF2N4O3S/c1-11-12-4-2-5-13(17(12)24-10-23-11)19(27)25-18-14(20)6-7-15(16(18)22)26-30(28,29)9-3-8-21/h2,4-7,10,26H,3,8-9H2,1H3,(H,25,27)
InChIKeyYTLDBALFFBBYFL-UHFFFAOYSA-N
XLogP4.08
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.89
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2,6-dichloro-3-(3-fluoropropylsulfonylamino)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 86666978
4-amino-N-[6-chloro-3-(propylsulfonylamino)-2-[2-tri(propan-2-yl)silylethynyl]phenyl]quinazoline-8-carboxamide
CID 71208000
4-(cyclopropylamino)-N-[2,6-difluoro-3-(3-fluoropropylsulfonylamino)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 50997132
4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide
CID 162655197
N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
CID 81481599
4-amino-N-[2-chloro-3-[ethyl(methylsulfamoyl)amino]-6-fluorophenyl]quinazoline-8-carboxamide
CID 71207964
4-chloro-N-[6-fluoro-2-methoxy-3-[1-(4-methoxyphenyl)butan-2-ylsulfonylamino]phenyl]quinazoline-8-carboxamide
CID 89372867
N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide
CID 50997136
N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide
CID 67042982
3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
CID 28969153
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(morpholin-4-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide
CID 50997135

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide?
The IUPAC name of N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide (CID 67042873) is N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide.
What is the SMILES notation for N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide?
The canonical SMILES for N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide is Cc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)cccc12.
What is the InChIKey of N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide?
The InChIKey is YTLDBALFFBBYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O3S/c1-11-12-4-2-5-13(17(12)24-10-23-11)19(27)25-18-14(20)6-7-15(16(18)22)26-30(28,29)9-3-8-21/h2,4-7,10,26H,3,8-9H2,1H3,(H,25,27).
What are the key properties of N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide?
N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide has a molecular weight of 454.89 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide is sourced from PubChem (CID 67042873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).